2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide

C16H21N3O — CID 51105932

IUPAC2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)15(20)17-11-9-13-10-12-19(18-13)14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,17,20)
InChIKeyMITIBTRDZPBECK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.58
Rot. Bonds4

About 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide (PubChem CID 51105932) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide
PubChem CID51105932
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)15(20)17-11-9-13-10-12-19(18-13)14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,17,20)
InChIKeyMITIBTRDZPBECK-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide (CID 51105932) is 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide?
The InChIKey is MITIBTRDZPBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)15(20)17-11-9-13-10-12-19(18-13)14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 51105932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).